N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C22H27FN2O4 — CID 170502410

IUPACN-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCCN(CCOc1ccc(F)cc1)C(=O)c1c(C)cc(C2CCCNC2)oc1=O
InChIInChI=1S/C22H27FN2O4/c1-3-25(11-12-28-18-8-6-17(23)7-9-18)21(26)20-15(2)13-19(29-22(20)27)16-5-4-10-24-14-16/h6-9,13,16,24H,3-5,10-12,14H2,1-2H3
InChIKeyBVEZKRZZBUKPJQ-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.10
Rot. Bonds7

About N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170502410) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170502410
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC NameN-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCCN(CCOc1ccc(F)cc1)C(=O)c1c(C)cc(C2CCCNC2)oc1=O
InChIInChI=1S/C22H27FN2O4/c1-3-25(11-12-28-18-8-6-17(23)7-9-18)21(26)20-15(2)13-19(29-22(20)27)16-5-4-10-24-14-16/h6-9,13,16,24H,3-5,10-12,14H2,1-2H3
InChIKeyBVEZKRZZBUKPJQ-UHFFFAOYSA-N
XLogP3.10
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511246
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171712694
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710983
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4-methyl-6-piperidin-3-ylpyran-2-one
CID 170505244
N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170502410) is N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is CCN(CCOc1ccc(F)cc1)C(=O)c1c(C)cc(C2CCCNC2)oc1=O.
What is the InChIKey of N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is BVEZKRZZBUKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-3-25(11-12-28-18-8-6-17(23)7-9-18)21(26)20-15(2)13-19(29-22(20)27)16-5-4-10-24-14-16/h6-9,13,16,24H,3-5,10-12,14H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170502410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).